7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one

C16H24N2O — CID 82172621

IUPAC7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one
SMILESCCc1cc2c(c(C(N)C(C)(C)C)c1)NC(=O)C2C
InChIInChI=1S/C16H24N2O/c1-6-10-7-11-9(2)15(19)18-13(11)12(8-10)14(17)16(3,4)5/h7-9,14H,6,17H2,1-5H3,(H,18,19)
InChIKeyVWSHKWLNIXCFNO-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.35
Rot. Bonds2

About 7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one

7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82172621) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one
PubChem CID82172621
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one
SMILESCCc1cc2c(c(C(N)C(C)(C)C)c1)NC(=O)C2C
InChIInChI=1S/C16H24N2O/c1-6-10-7-11-9(2)15(19)18-13(11)12(8-10)14(17)16(3,4)5/h7-9,14H,6,17H2,1-5H3,(H,18,19)
InChIKeyVWSHKWLNIXCFNO-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one (CID 82172621) is 7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one is CCc1cc2c(c(C(N)C(C)(C)C)c1)NC(=O)C2C.
What is the InChIKey of 7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is VWSHKWLNIXCFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-6-10-7-11-9(2)15(19)18-13(11)12(8-10)14(17)16(3,4)5/h7-9,14H,6,17H2,1-5H3,(H,18,19).
What are the key properties of 7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one?
7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).